3,6-bis(chloranyl)-2-(3-pyrrolidin-1-ium-1-ylidene-6-pyrrolidin-1-yl-xanthen-9-yl)benzoic acid

Systemtic Name: 3,6-bis(chloranyl)-2-(3-pyrrolidin-1-ium-1-ylidene-6-pyrrolidin-1-yl-xanthen-9-yl)benzoic acid Openeye Name: 3,6-dichloro-2-(3-pyrrolidin-1-ium-1-ylidene-6-pyrrolidin-1-yl-xanthen-9-yl)benzoic acid CAS Name: 3,6-dichloro-2-[3-(1-pyrrolidin-1-iumylidene)-6-(1-pyrrolidinyl)-9-xanthenyl]benzoic acid IUPAC Name: 3,6-dichloro-2-(3-pyrrolidin-1-ium-1-ylidene-6-pyrrolidin-1-ylxanthen-9-yl)benzoic acid Traditional Name: 3,6-dichloro-2-(3-pyrrolidin-1-ium-1-ylidene-6-pyrrolidino-xanthen-9-yl)benzoic acid Formula: C28H25Cl2N2O3+ MolecularWeight: 508.4157

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC3=C(C=C2)C(=C4C=CC(=[N+]5CCCC5)C=C4O3)C6=C(C=CC(=C6C(=O)O)Cl)Cl

Isomeric SMILES

C1CCN(C1)C2=CC3=C(C=C2)C(=C4C=CC(=[N+]5CCCC5)C=C4O3)C6=C(C=CC(=C6C(=O)O)Cl)Cl

InChI

InChI=1S/C28H24Cl2N2O3/c29-21-9-10-22(30)27(28(33)34)26(21)25-19-7-5-17(31-11-1-2-12-31)15-23(19)35-24-16-18(6-8-20(24)25)32-13-3-4-14-32/h5-10,15-16H,1-4,11-14H2/p+1